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CS-W001157 4
Total: USD 88.00

Ethyl 3-amino-1-benzyl-1H-pyrazole-4-carboxylate

  • CAS No. 21377-11-7

  • Cat. No. CS-0468649
  • Purity≥98%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

Ethyl 3-amino-1-benzyl-1H-pyrazole-4-carboxylate|CS-0468649

Structure of 21377-11-7

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General Information

  • CAS No. 21377-11-7
  • Cat. No. CS-0468649
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₅N₃O₂
  • Molecular Weight 245.28
  • Synonym(s) Ethyl 3-amino-1-benzylpyrazol-4-carboxylate
  • SMILES O=C(C1=CN(CC2=CC=CC=C2)N=C1N)OCC

Synthesis

  • Route1
    • null|null
      100-44-7
    • Ethyl 3-amino-1H-pyrazole-4-carboxylate Allopurinol Impurity|CS-0229741
      6994-25-8
    • ~79%
    • Ethyl 3-amino-1-benzyl-1H-pyrazole-4-carboxylate|CS-0468649
      21377-11-7

    References

    • INDOCO REMEDIES LIMITED; RAJADHYAKSHA, Mangesh, Narayan; KOLEKAR, Shankar, Laxman; BAVISKAR, Anil, Yuvraj; PANANDIKAR, Aditi, Milind Patent: WO2011/64798 A1, 2011 ; Location in patent: Page/Page column 8 ;
  • Route2
    • null|null
      100-44-7
    • In-stock
      1H-Pyrazole-4-carboxylic acid, 5-amino-, ethyl ester|CS-1262152
      1260243-04-6
    • ~%
    • Ethyl 5-amino-1-benzyl-1H-pyrazole-4-carboxylate|CS-0073668
      19867-62-0
    • Ethyl 3-amino-1-benzyl-1H-pyrazole-4-carboxylate|CS-0468649
      21377-11-7

    References

    • Baviskar, Ashish T.; Banerjee, Uttam C.; Gupta, Mukesh; Singh, Rajveer; Kumar, Sunil; Gupta, Manish K.; Kumar, Sanjeev; Raut, Satish K.; Khullar, Madhu; Singh, Sandeep; Kumar, Raj Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 18 p. 5782 - 5793
  • Route3
    • null|null
      105-56-6
    • ~%
    • Ethyl 3-amino-1-benzyl-1H-pyrazole-4-carboxylate|CS-0468649
      21377-11-7

    References

    • INDOCO REMEDIES LIMITED; RAJADHYAKSHA, Mangesh, Narayan; KOLEKAR, Shankar, Laxman; BAVISKAR, Anil, Yuvraj; PANANDIKAR, Aditi, Milind Patent: WO2011/64798 A1, 2011 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   70.14
  • LogP   1.6903
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   4

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